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14429-16-4 | Benzenemethanamine, 4-nitro-N-(phenylmethyl)-
CAS No: 14429-16-4 Catalog No: AG001J95 MDL No:
Product Description
Catalog Number:
AG001J95
Chemical Name:
Benzenemethanamine, 4-nitro-N-(phenylmethyl)-
CAS Number:
14429-16-4
Molecular Formula:
C14H14N2O2
Molecular Weight:
242.2732
IUPAC Name:
N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
InChI:
InChI=1S/C14H14N2O2/c17-16(18)14-8-6-13(7-9-14)11-15-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChI Key:
KONOGIFSMBLJOH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CNCc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.278g/mol
Monoisotopic Mass:
242.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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